Chicoric Acid

CAT: 1596-AR-C05621-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05621-02Size:25 Units

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CAS Number

70831-56-0

Synonyms

(2R,3R) -2,3-bis (((E) -3- (3,4-dihydroxyphenyl) acryloyl) oxy) succinic acid

Molecular Formula

C22H18O12

Molecular Weight

474.37

API Name

Caftaric Acid

Chemical Information

(-)-Chicoric acid

Chicoric acid is an organooxygen compound. It has a role as a geroprotector and a HIV-1 integrase inhibitor. It is functionally related to a tetracarboxylic acid.

CAS Number	70831-56-0
PubChem CID	5281764
IUPAC Name	(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
Molecular Formula	C22H18O12
Molecular Weight	474.4
XLogP	2
Topological Polar Surface Area	208
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Heavy Atom Count	34
Formal Charge	0
Complexity	740

SMILES

C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O

InChI

InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1

InChIKey

YDDGKXBLOXEEMN-IABMMNSOSA-N

Chemical Structure

2D Structure

CAS: 70831-56-0

CID: 5281764

Formula: C22H18O12

MW: 474.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	474.4
XLogP3	2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Exact Mass	474.07982601
Monoisotopic Mass	474.07982601
Topological Polar Surface Area	208 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	740
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
C158-25MG	Chicoric acid
C13982-5mg	(-) -Chicoric acid‌
HY-N0457A-01	L-Chicoric Acid
HY-N0457R-01	Chicoric acid (Standard)

Chicoric Acid

Chemical Information

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